MMsINC Database Search


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MMsINC code: MMs00257701

Type: Neutral
Formula: C₁₄H₁₂N₂O₄S₄

SMILES:

s1cccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2sccc2)cc1

InChI:

InChI=1/C14H12N2O4S4/c17-23(18,13-3-1-9-21-13)15-11-5-7-12(8-6-11)16-24(19,20)14-4-2-10-22-14/h1-10,15-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.1302 kcal/mol

Physical Properties
Molecular Weight: 400.524 g/mol	logS: -4.63858	SlogP: 3.4112	Reactive groups: 0

Topological Properties
Globularity: 0.103658	Sterimol/B1: 3.44942	Sterimol/B2: 3.64481	Sterimol/B3: 4.10351
Sterimol/B4: 6.54937	Sterimol/L: 15.7595

Surface and Volume Properties
Accessible surface: 571.604	Positive charged surface: 226.787	Negative charged surface: 344.816	Volume: 312.75
Hydrophobic surface: 403.844	Hydrophilic surface: 167.76

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.